⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25822929 | 0.84 | ABCB1 (0.36) | — | |
| SCHEMBL25822959 | 0.83 | CYP17A1 (0.30) | — | |
| SCHEMBL17215746 | 0.78 | CYP2A6 (0.40) | — | |
| SCHEMBL25822951 | 0.78 | SCN9A (0.35) | — | |
| SCHEMBL25822920 | 0.76 | MAOB (0.32) | — | |
| SCHEMBL25822910 | 0.76 | MAOB (0.30) | — | |
| SCHEMBL25822903 | 0.76 | AR (0.30) | — | |
| SCHEMBL16441295 | 0.74 | TGFBR1 (0.39) | — | |
| SCHEMBL25822892 | 0.73 | — | — | |
| SCHEMBL24087566 | 0.72 | SCN9A (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230209989-A1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | LG DISPLAY CO., LTD. (KR) | 2023-06-29 | — | — | US | disclosed |
| US-20230209989-A1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME | LG DISPLAY CO., LTD. (KR) | 2023-06-29 | — | — | US | disclosed |